| SpectraBase Compound ID | 9pYdQs0bQjI |
|---|---|
| InChI | InChI=1S/C7H4BrNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11) |
| InChIKey | AXRKIZCFYZBBPX-UHFFFAOYSA-N |
| Mol Weight | 246.02 g/mol |
| Molecular Formula | C7H4BrNO4 |
| Exact Mass | 244.932371 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4KJVWb3xoCP |
|---|---|
| Name | 3-Bromo-5-nitrobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.932370609 u |
| Formula | C7H4BrNO4 |
| InChI | InChI=1S/C7H4BrNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11) |
| InChIKey | AXRKIZCFYZBBPX-UHFFFAOYSA-N |
| Molecular Weight | 246.016 g/mol |
| SMILES | C1(Br)=CC(=CC(=C1)C(=O)O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858659 |